C066-0667 Screening compound: 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-N-[2-(diethylamino)ethyl]acetamide

C066-0667 Screening compound: 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-N-[2-(diethylamino)ethyl]acetamide
C066-0667 Screening compound: 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-N-[2-(diethylamino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0667
2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-N-[2-(diethylamino)ethyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C066-0667

Molecular Formula

C31H42N4O4 (C31 H42 N4 O4)

Compound Name

2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-N-[2-(diethylamino)ethyl]acetamide

IUPAC name

2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinolin-4-yl]formamido}-N-[2-(diethylamino)ethyl]acetamide

SMILES

CCN(CC)CCNC(CNC(C(C(c(cc1)ccc1OC)N1C2CCCCC2)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C31H42N4O4/c1-4-34(5-2)20-19-32-27(36)21-33-30(37)28-25-13-9-10-14-26(25)31(38)35(23-11-7-6-8-12-23)29(28)22-15-17-24(39-3)18-16-22/h9-10,13-18,23,28-29H,4-8,11-12,19-21H2,1-3H3,(H,32,36)(H,33,37)

InChI Key

BQVZAYCTHLVDTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-3.87

Polar Surface Area

74.826

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.60

C066-0667 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0667?
Check Price and Availability of C066-0667, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C066-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0667
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C066-0667 available by request